Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 5/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7995434 | 0.79 | ALDH1A3 (0.65) | ALDH1A3ALDH3A1ALDH1A1MEN1MAPT | |
| SCHEMBL7455580 | 0.77 | ALDH1A1 (0.60) | ALDH3A1ALDH1A1MEN1LMNAMAPT | |
| SCHEMBL8591188 | 0.77 | ALDH1A1 (0.60) | ALDH3A1ALDH1A1MEN1LMNAMAPT | |
| SCHEMBL5716046 | 0.72 | CYP3A4 (0.46) | ALDH1A3NFE2L2ALDH1A1CYP3A4MAPT | |
| SCHEMBL18509336 | 0.71 | CYP3A4 (0.38) | ALDH1A3ALDH3A1NFE2L2ALDH1A1CYP3A4 | |
| SCHEMBL23555163 | 0.69 | CCR5 (0.39) | ALDH1A3ALDH1A1CYP3A4KMT2AGAA | |
| SCHEMBL9984014 | 0.69 | CYP3A4 (0.47) | ALDH1A3ALDH3A1ALDH1A1CYP3A4MAPT | |
| SCHEMBL6832796 | 0.69 | ALDH1A1 (0.44) | ALDH1A3ALDH1A1CYP3A4MEN1MAPT | |
| SCHEMBL9408668 | 0.69 | CYP3A4 (0.38) | ALDH1A3ALDH3A1ALDH1A1CYP3A4LMNA | |
| SCHEMBL9798981 | 0.68 | ALDH3A1 (0.56) | ALDH1A3ALDH3A1TUBB1ALDH1A1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3184527-A1 | 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL | Hydra Biosciences, Inc. (US) | 2017-06-28 | — | — | EP | disclosed |